3-propylphenanthro[9,10-c]pyridine

C20H17N — CID 71733890

IUPAC3-propylphenanthro[9,10-c]pyridine
SMILESCCCc1cc2c3ccccc3c3ccccc3c2cn1
InChIInChI=1S/C20H17N/c1-2-7-14-12-19-17-10-5-3-8-15(17)16-9-4-6-11-18(16)20(19)13-21-14/h3-6,8-13H,2,7H2,1H3
InChIKeyWHWCZKPCXIIDSJ-UHFFFAOYSA-N
MW271.36 g/mol
LogP5.49
Rot. Bonds2

About 3-propylphenanthro[9,10-c]pyridine

3-propylphenanthro[9,10-c]pyridine (PubChem CID 71733890) has the molecular formula C20H17N and a molecular weight of 271.36 g/mol. Its IUPAC name is 3-propylphenanthro[9,10-c]pyridine.

Molecular Properties

Compound Name3-propylphenanthro[9,10-c]pyridine
PubChem CID71733890
Molecular FormulaC20H17N
Molecular Weight271.36 g/mol
Exact Mass271.14
IUPAC Name3-propylphenanthro[9,10-c]pyridine
SMILESCCCc1cc2c3ccccc3c3ccccc3c2cn1
InChIInChI=1S/C20H17N/c1-2-7-14-12-19-17-10-5-3-8-15(17)16-9-4-6-11-18(16)20(19)13-21-14/h3-6,8-13H,2,7H2,1H3
InChIKeyWHWCZKPCXIIDSJ-UHFFFAOYSA-N
XLogP5.49
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500271.36
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-propylphenanthro[9,10-c]pyridine?
The IUPAC name of 3-propylphenanthro[9,10-c]pyridine (CID 71733890) is 3-propylphenanthro[9,10-c]pyridine.
What is the SMILES notation for 3-propylphenanthro[9,10-c]pyridine?
The canonical SMILES for 3-propylphenanthro[9,10-c]pyridine is CCCc1cc2c3ccccc3c3ccccc3c2cn1.
What is the InChIKey of 3-propylphenanthro[9,10-c]pyridine?
The InChIKey is WHWCZKPCXIIDSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N/c1-2-7-14-12-19-17-10-5-3-8-15(17)16-9-4-6-11-18(16)20(19)13-21-14/h3-6,8-13H,2,7H2,1H3.
What are the key properties of 3-propylphenanthro[9,10-c]pyridine?
3-propylphenanthro[9,10-c]pyridine has a molecular weight of 271.36 g/mol, XLogP of 5.49, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propylphenanthro[9,10-c]pyridine is sourced from PubChem (CID 71733890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).